[2-(3-methoxyphenyl)ethyl][(3-methylphenyl)methyl]amine

• ChemBase ID: 310885
• Molecular Formular: C17H21NO
• Molecular Mass: 255.35474
• Monoisotopic Mass: 255.1623143
• SMILES: c1c(OC)cccc1CCNCc1cc(ccc1)C
• Canonical SMILES: COc1cccc(c1)CCNCc1cccc(c1)C
• InChI: InChI=1S/C17H21NO/c1-14-5-3-7-16(11-14)13-18-10-9-15-6-4-8-17(12-15)19-2/h3-8,11-12,18H,9-10,13H2,1-2H3
• InChIKey: SOUNTTFFXCUUPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(3-methoxyphenyl)ethyl][(3-methylphenyl)methyl]amine
• IUPAC Traditional name: [2-(3-methoxyphenyl)ethyl][(3-methylphenyl)methyl]amine
• Synonyms: 2-(3-methoxyphenyl)-N-(3-methylbenzyl)ethanamine

Database IDs

• CAS Number: 355815-54-2
• MDL Number: MFCD01134883

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6899227
• LogD (pH = 7.4): 1.500349
• Log P: 3.900479
• Molar Refractivity: 80.178 cm^3
• Polarizability: 31.234964 Å^3
• Polar Surface Area: 21.26 Å^2